2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]pyridine-3-carboxylic acid
Chemical Structure Depiction of
2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]pyridine-3-carboxylic acid
2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]pyridine-3-carboxylic acid
Compound characteristics
| Compound ID: | K786-0252 |
| Compound Name: | 2-[(2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]pyridine-3-carboxylic acid |
| Molecular Weight: | 376.43 |
| Molecular Formula: | C18 H20 N2 O5 S |
| Smiles: | COc1ccc(CCNC(CSc2c(cccn2)C(O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.2529 |
| logD: | -0.8453 |
| logSw: | -2.3171 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.128 |
| InChI Key: | HJQVXMJJTZHDEJ-UHFFFAOYSA-N |